4-(dimethylamino)-N-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzamide

• ChemBase编号: 685370
• 分子式: C19H23FN2O2
• 平均质量: 330.3965232
• 单一同位素质量: 330.17435621
• SMILES: C(=O)(c1ccc(N(C)C)cc1)N(CCOc1c(F)cccc1)CC
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)N(C)C)CCOc1ccccc1F
• InChI: InChI=1S/C19H23FN2O2/c1-4-22(13-14-24-18-8-6-5-7-17(18)20)19(23)15-9-11-16(12-10-15)21(2)3/h5-12H,4,13-14H2,1-3H3
• InChIKey: DDSVYANZFFIACK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(dimethylamino)-N-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzamide
• IUPAC传统名: 4-(dimethylamino)-N-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzamide
• 别名: 4-(dimethylamino)-N-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.518868
• LogD (pH = 7.4): 3.5227914
• Log P: 3.5228417
• 摩尔折射率: 94.8756 cm^3
• 极化性: 35.275288 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.95
• LOG S: -4.99
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 7